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Crystal Lab › Prototype structures › Orthorhombic

β'-Gd₂(MoO₄)₃

Orthorhombic · space group Pba2 (No. 32) · Pearson oP68

Symmetry elements and Wyckoff positions (interactive)

β'-Gd₂(MoO₄)₃ in Pba2

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit cell

Lattice constants
a = 10.386 Å, b = 10.419 Å, c = 10.700 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
1157.8 ų
Atoms in the conventional cell
68 (Gd 8, Mo 12, O 48)
Formula units Z
4
Pearson symbol
oP68 — orthorhombic, primitive lattice, 68 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Gd1Gd4c40.49470.68780.7622
Gd2Gd4c40.31220.99400.2369
Mo3Mo4c40.49160.70690.1424
Mo4Mo4c40.29360.00340.8571
Mo5Mo4c40.25720.24390.5000
O6O4c40.38300.88600.7900
O7O4c40.13500.87100.2060
O8O4c40.15100.65900.8230
O9O4c40.34800.64900.2030
O10O4c40.31500.86400.3990
O11O4c40.13000.82100.5940
O12O4c40.36100.66800.5980
O13O4c40.16900.62900.4100
O14O4c40.98000.80400.9780
O15O4c40.30800.98400.0150
O16O4c40.00500.62800.1940
O17O4c40.37000.48900.8080

The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 68 atoms drawn above are these sites multiplied by all 4 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.

How to read the label

A2B3C12_oP68_32_2c_3c_12c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP68, then the space-group number 32, then the Wyckoff letters occupied by each element in turn (Gd: 4c; Gd: 4c; Mo: 4c; Mo: 4c; Mo: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Dy₂(MoO₄)₃, Eu₂(MoO₄)₃, Ho₂(MoO₄)₃, La₂(MoO₄)₃, Tb₂(MoO₄)₃ <!--beginning with an

Note: \beta'-Gd₂(MoO₄)₃.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3C12_oP68_32_2c_3c_12c-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.

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